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	hartrees
Energy at 0K	-132.584190
Energy at 298.15K	-132.587222
HF Energy	-132.419990
Nuclear repulsion energy	63.614309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3231	3.75
2	A'	3130	3130	24.48
3	A'	1706	1706	7.93
4	A'	1532	1532	0.10
5	A'	1310	1310	9.92
6	A'	1046	1046	0.26
7	A'	1000	1000	61.40
8	A'	673	673	12.20
9	A"	3223	3223	26.07
10	A"	1130	1130	1.24
11	A"	991	991	0.37
12	A"	788	788	17.29

Atom	x (Å)	y (Å)	z (Å)
N1	-0.867	-0.166	0.000
C2	0.000	0.745	0.000
C3	0.660	-0.535	0.000
H4	0.034	1.827	0.000
H5	1.038	-0.964	0.921
H6	1.038	-0.964	-0.921

	N1	C2	C3	H4	H5	H6
N1		1.2581	1.5708	2.1875	2.2616	2.2616
C2	1.2581		1.4402	1.0822	2.2018	2.2018
C3	1.5708	1.4402		2.4432	1.0842	1.0842
H4	2.1875	1.0822	2.4432		3.1058	3.1058
H5	2.2616	2.2018	1.0842	3.1058		1.8420
H6	2.2616	2.2018	1.0842	3.1058	1.8420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	70.839	N1	C2	H4	138.238
N1	C3	C2	49.161	N1	C3	H5	115.600
N1	C3	H6	115.600	C2	N1	C3	60.000
C2	C3	N1	49.161	C2	C3	H5	120.780
C2	C3	H6	120.780	C3	C2	H4	150.923
H5	C3	H6	116.299

All results from a given calculation for CHNCH₂ (2H-Azirine)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CHNCH2 (2H-Azirine)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for CHNCH₂ (2H-Azirine)